4-pentadecan-8-ylthiomorpholine

C19H39NS — CID 134320979

IUPAC4-pentadecan-8-ylthiomorpholine
SMILESCCCCCCCC(CCCCCCC)N1CCSCC1
InChIInChI=1S/C19H39NS/c1-3-5-7-9-11-13-19(14-12-10-8-6-4-2)20-15-17-21-18-16-20/h19H,3-18H2,1-2H3
InChIKeyHRRRRFOVRNFIQE-UHFFFAOYSA-N
MW313.60 g/mol
LogP6.12
Rot. Bonds13

About 4-pentadecan-8-ylthiomorpholine

4-pentadecan-8-ylthiomorpholine (PubChem CID 134320979) has the molecular formula C19H39NS and a molecular weight of 313.60 g/mol. Its IUPAC name is 4-pentadecan-8-ylthiomorpholine.

Molecular Properties

Compound Name4-pentadecan-8-ylthiomorpholine
PubChem CID134320979
Molecular FormulaC19H39NS
Molecular Weight313.60 g/mol
Exact Mass313.28
IUPAC Name4-pentadecan-8-ylthiomorpholine
SMILESCCCCCCCC(CCCCCCC)N1CCSCC1
InChIInChI=1S/C19H39NS/c1-3-5-7-9-11-13-19(14-12-10-8-6-4-2)20-15-17-21-18-16-20/h19H,3-18H2,1-2H3
InChIKeyHRRRRFOVRNFIQE-UHFFFAOYSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.60
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
1-octadecan-4-ylaziridine
CID 87223215
1-decan-4-ylpiperidine
CID 142178259
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
4-hexadecan-8-ylmorpholine
CID 126489366
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-decan-3-ylpiperidine
CID 68984931

Frequently Asked Questions

What is the IUPAC name of 4-pentadecan-8-ylthiomorpholine?
The IUPAC name of 4-pentadecan-8-ylthiomorpholine (CID 134320979) is 4-pentadecan-8-ylthiomorpholine.
What is the SMILES notation for 4-pentadecan-8-ylthiomorpholine?
The canonical SMILES for 4-pentadecan-8-ylthiomorpholine is CCCCCCCC(CCCCCCC)N1CCSCC1.
What is the InChIKey of 4-pentadecan-8-ylthiomorpholine?
The InChIKey is HRRRRFOVRNFIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NS/c1-3-5-7-9-11-13-19(14-12-10-8-6-4-2)20-15-17-21-18-16-20/h19H,3-18H2,1-2H3.
What are the key properties of 4-pentadecan-8-ylthiomorpholine?
4-pentadecan-8-ylthiomorpholine has a molecular weight of 313.60 g/mol, XLogP of 6.12, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentadecan-8-ylthiomorpholine is sourced from PubChem (CID 134320979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).